(2R)-2-(4-nitrophenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(4-nitrophenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-nitrophenoxy)propan-1-one CAS Name: (2R)-2-(4-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-nitrophenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-nitrophenoxy)propan-1-one Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-16(27-19-9-7-18(8-10-19)23(25)26)20(24)22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3/p+1/t16-/m1/s1